SCHEMBL9214518

SCHEMBL9214518

CCCC12COC(c3ccc(C#Cc4ccccc4)cc3)(OC1)OC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
APP P05067 1/20 0.35
MAPT P10636 1/20 0.33
GRM5 P41594 6/20 0.32
FFAR1 O14842 4/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP12 P39900 2/20 0.31
MMP14 P50281 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9399914 0.87 CYP1A1 (0.33)
SCHEMBL10699981 0.86
SCHEMBL10700056 0.85
SCHEMBL9210040 0.84 GABRP (0.36) NPC1RAB9ADRD2
SCHEMBL9203586 0.84
SCHEMBL10697119 0.84
SCHEMBL9211633 0.83 FFAR1 (0.35) NPC1HTTRAB9ASMN1; SMN2FFAR1
SCHEMBL10697942 0.83
SCHEMBL9214601 0.83 HRH3 (0.35)
SCHEMBL9213738 0.83 GABRP (0.34) MMP2MMP12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0216624-B1 Pesticidal compounds ROUSSEL UCLAF (FR) 1995-02-22 EP disclosed
US-5371075-A Pesticides ROUSSEL-UCLAF (FR) 1994-12-06 US disclosed
US-5057508-A Bicyclo(2-2-1)octanes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-10-15 US disclosed
US-4965257-A INSECTICIDES, ACARICIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-10-23 US disclosed
EP-0216624-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-04-01 EP disclosed